Vitas-M small molecule compound
2-{3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl}-2-cyano-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide
Catalog ID
STK714401
SMILES CCOc1cc(CCNC(=O)C(c2nc3ccccc3nc2N2CCN(CC2)Cc2ccc3c(c2)OCO3)C#N)ccc1OCC
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C35H38N6O5 MW 622.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H38N6O5/c1-3-43-29-11-9-24(19-31(29)44-4-2)13-14-37-35(42)26(21-36)33-34(39-28-8-6-5-7-27(28)38-33)41-17-15-40(16-18-41)22-25-10-12-30-32(20-25)46-23-45-30/h5-12,19-20,26H,3-4,13-18,22-23H2,1-2H3,(H,37,42)InChIKey
WCGCVXRSLMAXMW-UHFFFAOYSA-NSynonyms
2(3(4(13benzodioxol5ylmethyl)piperazin1yl)quinoxalin2yl)2cyanoN(2(34diethoxyphenyl)ethyl)acetamide
2(3(4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)quinoxalin2yl)2cyanoN(34diethoxyphenethyl)acetamide
CCOC1=C(C=C(C=C1)CCNC(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCN(CC4)CC5=CC6=C(C=C5)OCO6)OCC
InChI=1SC35H38N6O5c13432911924(1931(29)4442)13143735(42)26(2136)3334(3928865727(28)3833)41171540(161841)222510123032(2025)46234530h512192026H3413182223H212H3(H3742)
MFCD05738805
ZINC000098000348
ZINC000098000349
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